Month: November 2022

Wang, Qiwei published the artcilePd(NHC)(cinnamyl)Cl-catalyzed Suzuki cross-coupling reaction of aryl sulfonates with arylboronic acids, Product Details of C27H39ClN2, the publication is Molecular Diversity (2020), 24(4), 903-911, database is CAplus and MEDLINE.

A series of N-heterocyclic carbene (NHC)-palladium catalysts were synthesized and efficiently applied to catalyze the Suzuki coupling reaction between aryl sulfonates and arylboronic acids with the use of potassium phosphate heptahydrate as a base. The desired yields were obtained even with less reactive aryl tosylates or aryl mesylates as substrates. This method was applied successfully for the synthesis of (R)-2-(t-butoxycarbonylamino)-3-(biphenyl-4-yl)-propan-1-ol which is the key intermediate of sacubitril, a component of the newly approved antihypertensive drug “Entresto”.

Molecular Diversity published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C13H10O2, Product Details of C27H39ClN2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Yang, Lin published the artcileDetermination of esomeprazole sodium for injection by HPLC, Formula: C17H18N3NaO3S, the publication is Huaxue Gongchengshi (2016), 30(1), 31-32, 4, database is CAplus.

Objective: To establish a method for the determination of esomeprazole sodium for injection by HPLC. Method: The anal. was performed on a Diamonsil C18 column (4.6 mm×150 mm, 5 μm) with the mobile phase of 20 mM potassium dihydrogen phosphate buffer solution (pH6.86)-methanol (35:65, V/V) at a flow rate of 1 mL·min^-1. The wavelength used for detection was 302 nm. Result: The calibration curve of esomeprazole was linear in the range of 50âˆ?00 μg·mL^-1 (r=-0.9997). The mean recoveries were 99.2% (RSD=0.6%, n=9). Conclusion: The method was proved to be rapid, simple and accurate and have been successfully applied for determination of esomeprazole sodium for injection.

Huaxue Gongchengshi published new progress about 161796-78-7. 161796-78-7 belongs to imidazoles-derivatives, auxiliary class Membrane Transporter/Ion Channel,Proton Pump, name is Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, and the molecular formula is C11H21BF4N2O2, Formula: C17H18N3NaO3S.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Sundberg, Richard J. published the artcilePreparation of 2-aryl- and 2-(aryloxymethyl)imidazo[1,2-a]pyridines and related compounds, COA of Formula: C9H9ClN2, the publication is Journal of Heterocyclic Chemistry (1988), 25(1), 129-37, database is CAplus.

A series of arylimidazopyridines I (R = H, R¹ = H, 6-Me, 7-Me, 6-NO₂, 6-Cl, 6-iodo, 6-OMe, 6-SEt, 6-SPr; R² = Br, NO₂) were prepared by the cyclocondensation of 2-aminopyridines with 4-R²C₆H₄COCH₂Br (II). I (R = H, R¹ = 6-NHAc, 6-SOEt, 6-SO₂Et, 6-cyano- 6-CHO, R² = NHAc, NHSO₂Me, NHSO₂Ph, cyano, CHO, CO₂Me, CONH₂, CSNH₂; R = Br, cyano, CHO, R¹ = H, R² = Me, Br, NO₂) were also prepared Imidazolthiazoles III and imidazopyrimidines IV (R² = NO₂, NHAc, iodo, cyano, CHO) were prepared by the reactions of 2-aminothiazoles and 2-aminopyrimidine resp. with II (R² = Br, NO₂, iodo). Various other heterocyclic compounds, e.g., 4-R³CH₂OC₆H₄CHO (R³ = 1-methylimidezol-2-yl, 2-pyridyl, 3-pyridyl, 4-pyridyl, 4-thiazolyl, etc.), were prepared by condensation reactions.

Journal of Heterocyclic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C23H20BN, COA of Formula: C9H9ClN2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Mitra, Mainak published the artcileHighly enantioselective epoxidation of olefins by H₂O₂ catalyzed by a non-heme Fe(II) catalyst of a chiral tetradentate ligand, HPLC of Formula: 4760-35-4, the publication is Dalton Transactions (2019), 48(18), 6123-6131, database is CAplus and MEDLINE.

The chiral tetradentate N4-donor ligand, 1-methyl-2-({(S)-2-[(S)-1-(1-methylbenzimidazol-2-yl Me)pyrrolidin-2-yl]pyrrolidin-1-yl}methyl)benzimidazole (S,S-^PDBzL), based on a chiral dipyrrolidine backbone, was synthesized and its corresponding Fe(II) complex was prepared and characterized. The x-ray structure of the complex reveals that the Fe(II) ion is in a distorted octahedral coordination environment with two cis-oriented coordination sites occupied by (labile) triflate anions. The ability of the iron complex to catalyze asym. epoxidation reactions of olefins with H₂O₂ was studied, using 2-cyclohexen-1-one, 2-cyclopenten-1-one, cis-β-methylstyrene, isophorone, chalcones and tetralones as substrates. Different carboxylic acids were used as additives to enhance yields and enantioselectivities, and 2-ethylhexanoic acid gave the best results. The catalysis results indicate that the Fe(II) complex is capable of effecting comparatively high enantioselectivities (>80%) in the epoxidation reactions.

Dalton Transactions published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, HPLC of Formula: 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Nusz, Greg J. published the artcileRational Selection of Gold Nanorod Geometry for Label-Free Plasmonic Biosensors, Related Products of imidazoles-derivatives, the publication is ACS Nano (2009), 3(4), 795-806, database is CAplus and MEDLINE.

The authors present the development of an anal. model that can be used for the rational design of a biosensor based on shifts in the local surface plasmon resonance (LSPR) of individual gold nanoparticles. The model relates the peak wavelength of light scattered by an individual plasmonic nanoparticle to the number of bound analyte mols. and provides an anal. formulation that predicts relevant figures-of-merit of the sensor such as the mol. detection limit (MDL) and dynamic range as a function of nanoparticle geometry and detection system parameters. The model calculates LSPR shifts for individual mols. bound by a nanorod, so that the MDL is defined as the smallest number of bound mols. that is measurable by the system, and the dynamic range is defined as the maximum number of mols. that can be detected by a single nanorod. This model is useful because it will allow a priori design of an LSPR sensor with figures-of-merit that can be optimized for the target analyte. This model was used to design an LSPR sensor based on biotin-functionalized gold nanorods that offers the lowest MDL for this class of sensors. The model predicts a MDL of 18 streptavidin mols. for this sensor, which is in good agreement with experiments and estimates Further, the authors discuss how the model can be utilized to guide the development of future generations of LSPR biosensors.

ACS Nano published new progress about 359860-27-8. 359860-27-8 belongs to imidazoles-derivatives, auxiliary class Other Aliphatic Heterocyclic,Chiral,Amine,Amide,Ether,Inhibitor, name is N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide, and the molecular formula is C18H34N4O5S, Related Products of imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Xiao, Junzhe published the artcileRoom Temperature Allenation of Terminal Alkynes with Aldehydes, Application of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, the publication is Angewandte Chemie, International Edition (2021), 60(49), 25708-25713, database is CAplus and MEDLINE.

A gold-catalyzed room temperature allenation of terminal alkynes (ATA) with aldehydes affording 1,3-disubstituted allenes with diverse functional groups was developed by identifying a gold(I) catalyst and an amine. The practicality of this reaction had been demonstrated by a ten gram-scale synthesis and the synthetic potentials have been demonstrated via various transformations and formal total synthesis of (-)-centrolobine. Mechanistic studies revealed that the gold catalyst, the aldehyde effect, the fluoroalkyl hydroxyl solvent (TFE or HFIP) and the structure of amine were vital in this room temperature ATA reaction.

Angewandte Chemie, International Edition published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C8H17Br, Application of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Wang, Qian published the artcileIonic liquid decorated MXene/Poly (N-isopropylacrylamide) composite hydrogel with high strength, chemical stability and strong adsorption, Application In Synthesis of 258278-25-0, the publication is Chemosphere (2022), 303(S), 135083, database is CAplus and MEDLINE.

Organic phenolic pollutants in industrial wastewater cause severe environmental pollution and physiol. damage. Poly (N-isopropylacrylamide) (PNIPAM) hydrogels generally have poor mech. strength and are also intrinsically frangible, limiting their widespread applications in wastewater treatment. Combining them with 2-dimensional materials can also only improve the mech. properties of hydrogels. Here, we report a high-strength, chem. stability and strong adsorption MXene/poly (N-isopropylacrylamide) (PNIPAM) thermosensitive composite hydrogel for efficient removal of phenolic pollutants from industrial wastewater. Ionic liquids (ILs) were grafted onto the surface of MXenes and introduced into NIPAM monomer solution to obtain composite hydrogels by in-situ polymerization for improved mech. strength and adsorption capacity of the composite hydrogel. Compared with the MXene/PNIPAM composite hydrogel, the introduction of ILs simultaneously improves the mech. and adsorption properties of the composite hydrogel. The ILs bind to the surface of MXene flakes through electrostatic interactions, which improved the thermal stability and oxidation resistance of MXenes while maintaining its good dispersion. Using 1-Ethyl-3-methylimidazolium tetrafluoroborate (EMIMBF4) modified MXene (MXene-EMIMBF4) did not change significantly were observed after aging for 45 days. As-prepared composite hydrogels demonstrated excellent mech. properties, reusability, and high adsorption capacity for p-Nitrophenol (4-NP). The MXene-EMIMBF4/PNIPAM hydrogel could recover after ten 95% strain compression cycles under the synergistic effect of chem. bonding and electrostatic attraction. Its maximum adsorption capacity for 4-NP was 200.29 mg g^-1 at room temperature, and the adsorption capacity maintained at �0% of its initial value after five adsorption cycles, which was related to the introduction of EMIMBF4 to form a denser network structure. The adsorption data followed the pseudo-second-order kinetics and Freundlich models.

Chemosphere published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C11H11BFNO4, Application In Synthesis of 258278-25-0.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Van Gyseghem, E. published the artcileDetermining orthogonal and similar chromatographic systems from the injection of mixtures in liquid chromatography-diode array detection and the interpretation of correlation coefficients color maps, Product Details of C17H20ClN3, the publication is Journal of Chromatography A (2004), 1026(1-2), 117-128, database is CAplus and MEDLINE.

Generic orthogonal chromatog. systems might be helpful tools as potential starting points in the development of methods to sep. impurities and the active substance in drugs with unknown impurity profiles. The orthogonality of 38 chromatog. systems was evaluated from weighted-average-linkage dendrograms and color maps, both based on the correlation coefficients between the retention factors on the different systems. On each chromatog. system, 68 drug substances were injected as mixtures of three or four components to increase the throughput. The (overlapping) peaks were identified and resolved with a peak purity algorithm, orthogonal projection approach (OPA). The visualization techniques applied allowed a simple evaluation of orthogonal and (groups of) similar systems.

Journal of Chromatography A published new progress about 2508-72-7. 2508-72-7 belongs to imidazoles-derivatives, auxiliary class Inhibitor,Immunology/Inflammation,Histamine Receptor, name is N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline hydrochloride, and the molecular formula is C7H16Cl2Si, Product Details of C17H20ClN3.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Buehlmayer, Peter published the artcileNonpeptidic angiotensin II antagonists: synthesis and in vitro activity of a series of novel naphthalene and tetrahydronaphthalene derivatives, Product Details of C8H13ClN2O, the publication is Journal of Medicinal Chemistry (1991), 34(10), 3105-14, database is CAplus and MEDLINE.

(Tetrazolylnaphthalenylmethyl)imidazoles I (R = Cl, R¹ = CH₂OH, R² = 1,2-Q, imidazole ring position = 5, 6, 7; R = CH₂OH, R¹ = Cl, R² = 2-Q, imidazole ring position = 6) and (naphthalenylmethyl)imidazoles II (R = Cl, R¹ = CH₂OH, R³ = CO₂H, 2-tetrazolyl, R⁴ = H, Me; R = CH₂OH, R¹ = Cl, R³ = CO₂H, 2-tetrazolyl, R⁴ = H, Me) were prepared and examined as angiotensin II receptor antagonists and as inhibitors of angiotensin II induced contraction of rabbit aortic rings. Thus, 5-methylnaphthalen-1-ylcarbonitrile was brominated to the 5-(bromomethyl) derivative which reacted with 2-butyl-4(5)-chloro-5(4)-(hydroxymethyl)imidazole to give I (R = Cl, R¹ = CH₂OH, R² = 1-cyano, imidazole ring position = 5) II. II was treated with Bu₃SnN₃ in xylene to give I (R = Cl, R¹ = CH₂OH, R² = 2-Q, imidazole ring position = 6; R = CH₂OH, R¹ = Cl, R² = 2-Q, imidazole ring position = 6) were the most potent of the compounds tested.

Journal of Medicinal Chemistry published new progress about 79047-41-9. 79047-41-9 belongs to imidazoles-derivatives, auxiliary class Imidazole,Chloride,Alcohol, name is (2-Butyl-4-chloro-1H-imidazol-5-yl)methanol, and the molecular formula is C8H13ClN2O, Product Details of C8H13ClN2O.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Murray-Smith, Richard J. published the artcileManaging emissions of active pharmaceutical ingredients from manufacturing facilities: An environmental quality standard approach, Recommanded Product: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, the publication is Integrated Environmental Assessment and Management (2012), 8(2), 320-330, database is CAplus and MEDLINE.

Active pharmaceutical ingredient (API) residues have been found to be widespread in the aquatic environment, albeit in most cases at trace levels, with the route to the environment predominantly being via therapeutic use and subsequent excretion to sewer. Although manufacturing discharges may be a low overall contributor to environmental concentrations, they need to be managed effectively so that they do not adversely affect the local receiving environment. In order to achieve this, a risk-based approach is proposed that identifies the long-term and short-term concentrations, referred to as environmental reference concentrations (ERCs) and maximum tolerable concentrations (MTCs), resp., of an API which should not be exceeded in the aquatic environment receiving effluent from pharmaceutical manufacturing sites. The ERC approach is based on established environmental quality standard concepts currently used in much national and international legislation. Building on these concepts, the approach takes into account indirect exposure of potential consumers such as fish-eating mammals and humans, as well as primary producers (e.g., algae) and primary and secondary consumers (e.g., invertebrates and fish). Although chronic toxicity data are preferred for ERC derivation, acute data, with appropriate considerations of uncertainty, may be used when chronic data are not available. This approach takes all available information into account, particularly for older established medicines that may predate current regulatory requirements for environmental data, and consequently helps prioritize resources for environmental testing. The ERC approach has been applied to 30 of AstraZeneca’s APIs. Merits of the approach are discussed together with opportunities for potential future refinement. Integr Environ Assess Manag 2012; 8: 320-330. © 2011 SETAC.

Integrated Environmental Assessment and Management published new progress about 161796-78-7. 161796-78-7 belongs to imidazoles-derivatives, auxiliary class Membrane Transporter/Ion Channel,Proton Pump, name is Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, and the molecular formula is C17H18N3NaO3S, Recommanded Product: Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem